Materials Data on U4Te3O4 by Materials Project

doi:10.17188/1203006

Title: Materials Data on U4Te3O4 by Materials Project

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Abstract

U4O4Te3 crystallizes in the tetragonal I4/mmm space group. The structure is two-dimensional and consists of two U4O4Te3 sheets oriented in the (0, 0, 1) direction. there are two inequivalent U+3.50+ sites. In the first U+3.50+ site, U+3.50+ is bonded in a 4-coordinate geometry to four equivalent Te2- and four equivalent O2- atoms. All U–Te bond lengths are 3.39 Å. All U–O bond lengths are 2.27 Å. In the second U+3.50+ site, U+3.50+ is bonded in a 4-coordinate geometry to four equivalent Te2- and four equivalent O2- atoms. All U–Te bond lengths are 3.19 Å. All U–O bond lengths are 2.40 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 8-coordinate geometry to eight equivalent U+3.50+ and eight equivalent O2- atoms. All Te–O bond lengths are 3.62 Å. In the second Te2- site, Te2- is bonded in a 4-coordinate geometry to four equivalent U+3.50+ atoms. O2- is bonded to four U+3.50+ and two equivalent Te2- atoms to form a mixture of face, edge, and corner-sharing OU4Te2 tetrahedra.

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-28939

DOE Contract Number:: AC02-05CH11231; EDCBEE

Research Org.:: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Collaborations:: MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE

Keywords:: crystal structure; U4Te3O4; O-Te-U

OSTI Identifier:: 1203006

DOI:: https://doi.org/10.17188/1203006

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                    The Materials Project. Materials Data on U4Te3O4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1203006.

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                    The Materials Project. Materials Data on U4Te3O4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1203006

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                    The Materials Project. 2020.  
"Materials Data on U4Te3O4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1203006.  https://www.osti.gov/servlets/purl/1203006. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1203006,

  title        = {Materials Data on U4Te3O4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {U4O4Te3 crystallizes in the tetragonal I4/mmm space group. The structure is two-dimensional and consists of two U4O4Te3 sheets oriented in the (0, 0, 1) direction. there are two inequivalent U+3.50+ sites. In the first U+3.50+ site, U+3.50+ is bonded in a 4-coordinate geometry to four equivalent Te2- and four equivalent O2- atoms. All U–Te bond lengths are 3.39 Å. All U–O bond lengths are 2.27 Å. In the second U+3.50+ site, U+3.50+ is bonded in a 4-coordinate geometry to four equivalent Te2- and four equivalent O2- atoms. All U–Te bond lengths are 3.19 Å. All U–O bond lengths are 2.40 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 8-coordinate geometry to eight equivalent U+3.50+ and eight equivalent O2- atoms. All Te–O bond lengths are 3.62 Å. In the second Te2- site, Te2- is bonded in a 4-coordinate geometry to four equivalent U+3.50+ atoms. O2- is bonded to four U+3.50+ and two equivalent Te2- atoms to form a mixture of face, edge, and corner-sharing OU4Te2 tetrahedra.},

  doi          = {10.17188/1203006},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1203006

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